Molecule card · MolClass #1510
Triamcinolone
Triamcinolone: molecular structure, identifiers, source datasets and 0 saved model results in MolClass.
4 source records · 0 model builds with saved results
Explore classification modelsStructure and identifiers
- Imported compound names
- TriamcinoloneFlucanozole Synergizer · compound_name31307P.falciparum Sensitivity · compound_name103520216Liver Toxcicity · compound_name
- MolClass ID
- 1510
- InChIKey
- GFNANZIMVAIWHM-OBYCQNJPSA-N
- Canonical SMILES
- CC24(C=CC(=O)C=C4(CCC1C3CC(O)C(O)(C(=O)CO)C3(C)(CC(O)C12(F))))
- Standard InChI
- InChI=1S/C21H27FO6/c1-18-6-5-12(24)7-11(18)3-4-13-14-8-15(25)21(28,17(27)10-23)19(14,2)9-16(26)20(13,18)22/h5-7,13-16,23,25-26,28H,3-4,8-10H2,1-2H3/t13-,14-,15+,16-,18-,19-,20-,21-/m0/s1
- Stored Murcko scaffold
- [CH]1C=CC2C(=C1)CCC3C2CCC4CCCC43
Registry normalization: MIGRATED_RAW. A registry entry does not establish drug approval or clinical use.
Molecules with the same Murcko scaffold
Exact matches to the stored ring-and-linker framework. Sharing a scaffold does not by itself establish activity or applicability to a model.
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Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 6
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 4
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 115.06 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 394.435 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.669
- CDK 2.12 · 2026-08-19
Saved model predictions
Computational predictions, not experimental measurements or clinical guidance. Results depend on the model build; applicability indicates similarity to its training chemistry.
No saved predictions yet. Explore classification models to choose a prediction.
Source datasets
Dataset registrations and identifiers stored in MolClass.
Flucanozole Synergizer
Dataset #3 · Triamcinolone
P.falciparum Sensitivity
Dataset #8 · 31307
Auto-fluorescence Prediction
Dataset #13 · 1002008
Liver Toxcicity
Dataset #17 · 103520216